1-(dimethylamino)-2-methyl-3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-2-ol

C9H16N4O3S — CID 114149789

IUPAC1-(dimethylamino)-2-methyl-3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-2-ol
SMILESCN(C)CC(C)(O)CNc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C9H16N4O3S/c1-9(14,6-12(2)3)5-11-8-10-4-7(17-8)13(15)16/h4,14H,5-6H2,1-3H3,(H,10,11)
InChIKeyCQYZCNNBZCGEMD-UHFFFAOYSA-N
MW260.32 g/mol
LogP0.78
Rot. Bonds6

About 1-(dimethylamino)-2-methyl-3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-2-ol

1-(dimethylamino)-2-methyl-3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-2-ol (PubChem CID 114149789) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-2-ol
PubChem CID114149789
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name1-(dimethylamino)-2-methyl-3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-2-ol
SMILESCN(C)CC(C)(O)CNc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C9H16N4O3S/c1-9(14,6-12(2)3)5-11-8-10-4-7(17-8)13(15)16/h4,14H,5-6H2,1-3H3,(H,10,11)
InChIKeyCQYZCNNBZCGEMD-UHFFFAOYSA-N
XLogP0.78
TPSA91.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 102770364
N-(2-methyl-2-methylsulfonylpropyl)-5-nitro-1,3-thiazol-2-amine
CID 102770921
1-[(2-chloro-5-nitropyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106149430
N-(2-methyl-2-thiophen-2-ylpropyl)-5-nitro-1,3-thiazol-2-amine
CID 102770946
3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-1-ol
CID 102770428
N,2-dimethyl-N'-(5-nitro-1,3-thiazol-2-yl)propane-1,3-diamine
CID 102771459
N-(2-methylsulfanylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770820
2-hydroxy-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide
CID 106171071
2,2-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)butanamide
CID 4634913
tert-butyl N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 102771164
N-(5-nitro-1,3-thiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 102771295
4-methyl-1-[(5-nitro-1,3-thiazol-2-yl)amino]pentan-2-ol
CID 107153381

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-2-ol (CID 114149789) is 1-(dimethylamino)-2-methyl-3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-2-ol is CN(C)CC(C)(O)CNc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-2-ol?
The InChIKey is CQYZCNNBZCGEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-9(14,6-12(2)3)5-11-8-10-4-7(17-8)13(15)16/h4,14H,5-6H2,1-3H3,(H,10,11).
What are the key properties of 1-(dimethylamino)-2-methyl-3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-2-ol?
1-(dimethylamino)-2-methyl-3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-2-ol has a molecular weight of 260.32 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-2-ol is sourced from PubChem (CID 114149789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).